N-[[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-2-methyl-2-morpholin-4-ylpropan-1-amine

C19H29F3N2O3 — CID 119106608

IUPACN-[[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-2-methyl-2-morpholin-4-ylpropan-1-amine
SMILESCCOc1cc(CNCC(C)(C)N2CCOCC2)ccc1OCC(F)(F)F
InChIInChI=1S/C19H29F3N2O3/c1-4-26-17-11-15(5-6-16(17)27-14-19(20,21)22)12-23-13-18(2,3)24-7-9-25-10-8-24/h5-6,11,23H,4,7-10,12-14H2,1-3H3
InChIKeyPPRKXMFOQKDPKJ-UHFFFAOYSA-N
MW390.45 g/mol
LogP3.23
Rot. Bonds9

About N-[[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-2-methyl-2-morpholin-4-ylpropan-1-amine

N-[[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-2-methyl-2-morpholin-4-ylpropan-1-amine (PubChem CID 119106608) has the molecular formula C19H29F3N2O3 and a molecular weight of 390.45 g/mol. Its IUPAC name is N-[[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-2-methyl-2-morpholin-4-ylpropan-1-amine.

Molecular Properties

Compound NameN-[[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-2-methyl-2-morpholin-4-ylpropan-1-amine
PubChem CID119106608
Molecular FormulaC19H29F3N2O3
Molecular Weight390.45 g/mol
Exact Mass390.21
IUPAC NameN-[[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-2-methyl-2-morpholin-4-ylpropan-1-amine
SMILESCCOc1cc(CNCC(C)(C)N2CCOCC2)ccc1OCC(F)(F)F
InChIInChI=1S/C19H29F3N2O3/c1-4-26-17-11-15(5-6-16(17)27-14-19(20,21)22)12-23-13-18(2,3)24-7-9-25-10-8-24/h5-6,11,23H,4,7-10,12-14H2,1-3H3
InChIKeyPPRKXMFOQKDPKJ-UHFFFAOYSA-N
XLogP3.23
TPSA42.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.45
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-2-methyl-2-morpholin-4-ylpropan-1-amine?
The IUPAC name of N-[[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-2-methyl-2-morpholin-4-ylpropan-1-amine (CID 119106608) is N-[[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-2-methyl-2-morpholin-4-ylpropan-1-amine.
What is the SMILES notation for N-[[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-2-methyl-2-morpholin-4-ylpropan-1-amine?
The canonical SMILES for N-[[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-2-methyl-2-morpholin-4-ylpropan-1-amine is CCOc1cc(CNCC(C)(C)N2CCOCC2)ccc1OCC(F)(F)F.
What is the InChIKey of N-[[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-2-methyl-2-morpholin-4-ylpropan-1-amine?
The InChIKey is PPRKXMFOQKDPKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29F3N2O3/c1-4-26-17-11-15(5-6-16(17)27-14-19(20,21)22)12-23-13-18(2,3)24-7-9-25-10-8-24/h5-6,11,23H,4,7-10,12-14H2,1-3H3.
What are the key properties of N-[[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-2-methyl-2-morpholin-4-ylpropan-1-amine?
N-[[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-2-methyl-2-morpholin-4-ylpropan-1-amine has a molecular weight of 390.45 g/mol, XLogP of 3.23, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-2-methyl-2-morpholin-4-ylpropan-1-amine is sourced from PubChem (CID 119106608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).